Analysis on chemical constituents in Citri Reticulatae Pericarpium by UHPLC-Q-TOF/MS,GC-MS and network pharmacology study on treating"phlegm,cough,and asthma"
Objective To identify the chemical constituents in Citri Reticulatae Pericarpium by ultra performance liquid chromatography-quadrupole-time of flight tandem mass spectrometry(UHPLC-Q-TOF/MS)and gas chromatography-mass spectrometry(GC-MS),and to analyze the pharmacological basis of its efficacy in the treatment of phlegm,cough and asthma and its mechanism of action by combining with network pharmacology.Methods A UHPLC-Q-TOF/MS and GC-MS analytical method was established to characterize the chemical constituents of Citri Reticulatae Pericarpium by combining diagnostic feature filtering and comparison of standard spectral libraries.The Swiss Target Prediction database was used to obtain the target information of the main components of Citri Reticulatae Pericarpium;the GeneCards database was used to obtain the targets related to"phlegm,cough and asthma";The intersection of the main components of Citri Reticulatae Pericarpium and the targets related to"phlegm,cough and asthma"was taken,and the protein-protein interaction(PPI)network of the intersected targets was drawn with the help of the String platform and the Cytoscape 3.10.0 software;the core targets were enriched by the Gene Ontology(GO)function and the Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway using the DAVID database;the results of the enrichment were visualized by the Microbiology Cloud platform.Results A total of 108 nonvolatile and 28 volatile components were identified;the main active components of Citri Reticulatae Pericarpium may be geranyl acetate,citronellyl acetate,(-)-perillaldehyde,(1R,5S)-carveol,decanal,(+)-alpha-terpineol,(-)-terpinen-4-ol,nonanal,linalool,tangeretin,sinensetin,isosinensetin,diosmetin,poncirin and swertiajaponin;Citri Reticulatae Pericarpium may exert the therapeutic effects of cough suppressant,asthma and expectorant through the synergistic regulation of PI3K-Akt,JAK-STAT signaling pathways via the key targets of HSP90AA1,EGFR,SRC,AKT1,PIK3CA,STAT1 and so on.Conclusion The possible pharmacological basis and mechanism of action of Citri Reticulatae Pericarpium in relieving cough,asthma and phlegm were analyzed,which can lay the foundation for the improvement of its quality markers and quality standards.
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